ChemSpider 2D Image | 4-Hydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-3,5-dimethoxy-2,5-cyclohexadien-1-one | C17H18O6

4-Hydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-3,5-dimethoxy-2,5-cyclohexadien-1-one

  • Molecular FormulaC17H18O6
  • Average mass318.321 Da
  • Monoisotopic mass318.110352 Da
  • ChemSpider ID23310548

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,5-Cyclohexadien-1-one, 4-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-3,5-dimethoxy- [ACD/Index Name]
4-Hydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-3,5-dimethoxy-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-Hydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-3,5-dimethoxy-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-Hydroxy-4-[3-(4-hydroxyphényl)-3-oxopropyl]-3,5-diméthoxy-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
4-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-3,5-dimethoxycyclohexa-2,5-dien-1-one
4-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-3,5-dimethoxycyclohexa-2,5-dienone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 607.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 225.3±25.0 °C
Index of Refraction: 1.600
Molar Refractivity: 81.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.35
ACD/KOC (pH 5.5): 172.20
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 7.71
ACD/KOC (pH 7.4): 142.07
Polar Surface Area: 93 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 239.1±5.0 cm3

Click to predict properties on the Chemicalize site


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